2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one

C13H22N2O3 — CID 122488303

IUPAC2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1COC2(C1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C13H22N2O3/c1-9(2)11(16)14-5-13(6-14)7-15(8-18-13)12(17)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyREAJCINHBFRIGN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds2

About 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one

2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one (PubChem CID 122488303) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
PubChem CID122488303
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1COC2(C1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C13H22N2O3/c1-9(2)11(16)14-5-13(6-14)7-15(8-18-13)12(17)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyREAJCINHBFRIGN-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one (CID 122488303) is 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one is CC(C)C(=O)N1COC2(C1)CN(C(=O)C(C)C)C2.
What is the InChIKey of 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
The InChIKey is REAJCINHBFRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)11(16)14-5-13(6-14)7-15(8-18-13)12(17)10(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one?
2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one has a molecular weight of 254.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[7-(2-methylpropanoyl)-5-oxa-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one is sourced from PubChem (CID 122488303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).